(2R)-4-chloranyl-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-4-chloranyl-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-chloro-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-oxo-butanenitrile CAS Name: (2R)-4-chloro-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-oxobutanenitrile IUPAC Name: (2R)-4-chloro-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile Traditional Name: (2R)-4-chloro-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-keto-butyronitrile Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)CCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)[C@H](C#N)C(=O)CCl)OC

InChI

InChI=1S/C15H13ClN2O3S/c1-20-13-4-3-9(5-14(13)21-2)11-8-22-15(18-11)10(7-17)12(19)6-16/h3-5,8,10H,6H2,1-2H3/t10-/m1/s1